UCSF

ZINC38574019

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 No

Popular Name: (4R,7aS)-6-amino-3-propyl-4-(3-pyridyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (4R,7aS)-6-amino-3-propyl-4-(3-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 -0.31 -8.52 2 6 0 97 281.319 3 ↓
Lo Low (pH 4.5-6) 1.60 0.07 -48.21 3 6 1 98 282.327 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.